SCHEMBL75442

SCHEMBL75442

O=C=NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30594623 0.86 ALDH1A1 (0.38) ALDH1A1
SCHEMBL14815728 0.83 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11709513 0.78 CYP2C9 (0.36) SIGMAR1CYP2C9
SCHEMBL629269 0.74 APLNR (0.38) SIGMAR1CYP2C9
SCHEMBL31226506 0.73
SCHEMBL31226395 0.72
SCHEMBL6048047 0.72 ALDH1A1 (0.42) ALDH1A1
SCHEMBL111517 0.70 ALDH1A1 (0.40) ALDH1A1
SCHEMBL13569826 0.69 CYP2C9 (0.38) SIGMAR1CYP2C9HSD11B1
SCHEMBL4507439 0.64 HSD11B1 (0.40) HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 516 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151136-A1 CATALYST COMPOSITION FOR POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-18 US claimed
US-20230134280-A1 CATALYSTS FOR THE FORMATION OF POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-04 US claimed
EP-4114877-A1 CATALYSTS FOR THE FORMATION OF POLYURETHANES Momentive Performance Materials Inc. (US) 2023-01-11 EP claimed
EP-4114566-A1 CATALYST COMPOSITION FOR POLYURETHANES Momentive Performance Materials Inc. (US) 2023-01-11 EP claimed
CN-115243789-A Catalyst composition for polyurethane 迈图高新材料公司 2022-10-25 CN claimed
CN-115210283-A Catalysts for polyurethane formation 迈图高新材料公司 2022-10-18 CN claimed
CN-111410668-B Beta-diimine zinc lithium bimetallic compound, preparation method thereof and application thereof in hydroboration of isocyanate 南京林业大学 2022-02-25 CN claimed
US-20210332211-A1 CATALYSTS FOR PRODUCING POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2021-10-28 US claimed
EP-3612581-B1 CATALYSTS FOR PRODUCING POLYURETHANES MOMENTIVE PERFORMANCE MAT GMBH (DE) 2020-12-23 EP claimed
CN-111410668-A β -diimine zinc-lithium bimetallic compound, preparation method thereof and application thereof in hydroboration of isocyanate 南京林业大学 2020-07-14 CN claimed
US-7034185-B2 Colorant precursor compositions XEROX CORPORATION (US) 2006-04-25 US claimed
US-20050272902-A1 Colorant compositions XEROX CORPORATION 2005-12-08 US claimed
US-20040215038-A1 Colorant precursor compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040215002-A1 Colorant compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040215022-A1 Colorant compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040214918-A1 Colorant compositions XEROX CORPORATION 2004-10-28 US claimed
US-6790267-B1 METHINE COLORANT COMPOUNDS FOR PHASE CHANGE INKS XEROX CORPORATION 2004-09-14 US claimed
US-20040167249-A1 Phase change inks with isocyanate-derived antioxidants and UV stabilizers XEROX CORPORATION 2004-08-26 US claimed
US-6652635-B2 Cyan phase change inks XEROX CORPORATION 2003-11-25 US claimed
US-20030079645-A1 Cyan phase change inks XEROX CORPORATION 2003-05-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040215022-A1 Colorant compositions ARSA, TST, IK SIGMAR1 140/4885ALDH1A1 1311/4885CYP2C9 1174/4885
US-20040215038-A1 Colorant precursor compositions RB1, SULT1A1, CBR1 SIGMAR1 444/4885ALDH1A1 199/4885CYP2C9 434/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.